SCHEMBL23824815

SCHEMBL23824815

NCC(N)CCc1ccc(-c2ncc(F)cn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DPP4 P27487 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ AKT1 P31749 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23824820 0.81 RAB9A (0.39) MPOSLC6A4DPP4MAOBGAA
SCHEMBL23824814 0.75 DPP4 (0.40) DPP4GAAHDAC4P2RX7AKT1
SCHEMBL17824476 0.75 GAA (0.37) MAOBGAAHDAC4P2RX7
SCHEMBL28488441 0.72 GAA (0.37) GAAHDAC4P2RX7
SCHEMBL28488443 0.72 GAA (0.37) GAAHDAC4P2RX7
SCHEMBL28485908 0.67 GAA (0.35) MAOBGAAHDAC4P2RX7
SCHEMBL2773140 0.67 MAOB (0.57) MPOMAOB
SCHEMBL24791637 0.66 ADRB2 (0.52) —
SCHEMBL30083519 0.66 ADRB2 (0.52) —
SCHEMBL31500159 0.66 MAPK1 (0.43) HDAC4P2RX7AKT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 — — EP disclosed
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